2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C13H28N2 — CID 115132873

IUPAC2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CC1CCCCC1
InChIInChI=1S/C13H28N2/c1-13(2,11-14-3)15(4)10-12-8-6-5-7-9-12/h12,14H,5-11H2,1-4H3
InChIKeyBHKZAWXJQWTSJG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115132873) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115132873
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CC1CCCCC1
InChIInChI=1S/C13H28N2/c1-13(2,11-14-3)15(4)10-12-8-6-5-7-9-12/h12,14H,5-11H2,1-4H3
InChIKeyBHKZAWXJQWTSJG-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Piperidin-1-yl)cyclohexyl]methanamine
CID 398402
1-(Aminomethyl)-N,N-dimethylcyclohexan-1-amine
CID 2113403
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
Cyclohexane, aminoethylaminomethyl-
CID 57155025
1-(aminomethyl)-N-methylcyclohexan-1-amine
CID 14088188
1-[(Dimethylamino)methyl]cyclohexan-1-amine
CID 28294539
[(2S)-2-amino-2-cyclohexylethyl]dimethylamine
CID 58598201
(Cyclohexylmethyl)[2-(dimethylamino)ethyl]methylamine
CID 757578
Cyclohexane, aminoethylaminoethyl-
CID 14775339

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115132873) is 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)CC1CCCCC1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is BHKZAWXJQWTSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,11-14-3)15(4)10-12-8-6-5-7-9-12/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115132873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).